Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133049' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133049
(CHEMBL262310 | Opioid Peptide [d-Ala(8)]Dynorphin ...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C61H98N22O12/c1-34(2)28-45(81-57(94)47-30-37-12-4-5-13-38(37)33-83(47)49(86)32-74-48(85)31-75-52(89)40(63)29-36-19-21-39(84)22-20-36)55(92)79-43(16-9-25-72-60(67)68)54(91)78-42(15-8-24-71-59(65)66)53(90)76-35(3)51(88)80-44(17-10-26-73-61(69)70)58(95)82-27-11-18-46(82)56(93)77-41(50(64)87)14-6-7-23-62/h4-5,12-13,19-22,34-35,40-47,84H,6-11,14-18,23-33,62-63H2,1-3H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t35-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-dipren... |
J Med Chem 46: 4002-8 (2003)
Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133049
(CHEMBL262310 | Opioid Peptide [d-Ala(8)]Dynorphin ...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C61H98N22O12/c1-34(2)28-45(81-57(94)47-30-37-12-4-5-13-38(37)33-83(47)49(86)32-74-48(85)31-75-52(89)40(63)29-36-19-21-39(84)22-20-36)55(92)79-43(16-9-25-72-60(67)68)54(91)78-42(15-8-24-71-59(65)66)53(90)76-35(3)51(88)80-44(17-10-26-73-61(69)70)58(95)82-27-11-18-46(82)56(93)77-41(50(64)87)14-6-7-23-62/h4-5,12-13,19-22,34-35,40-47,84H,6-11,14-18,23-33,62-63H2,1-3H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t35-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 29.4 | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opioid receptor kappa 1 |
J Med Chem 46: 4002-8 (2003)
Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H |
More data for this
Ligand-Target Pair | |
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